γ – Muurolene

γ – Muurolene
Compound Structure:
Synonyms: gamma-Muurolene; (+)-gamma-muurolene; CHEBI:64798 ;DTXSID401017737; (1S,4aS,8aR)-1-isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Compound ID: NMPC-1658
PubChem ID:

12313020

Molecular Formula: C15H24
Canonical SMILES: CC1=CC2C(CC1)C(=C)CCC2C(C)C
InChIKey: WRHGORWNJGOVQY-ZNMIVQPWSA-N
About the compound:

Gamma-muurolene is a sesquiterpene that is 1,2,3,4,4a,5,6,8a-octahydronaphthalene which is substituted at positions 1, 4 and 7 respetively by isopropyl, methylene and methyl groups (the 1S,4aS,8aR-diastereoisomer). It is a sesquiterpene, a carbobicyclic compound and a member of octahydronaphthalenes.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

282

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem

Source Species: Crateva adansonii
Greenwayodendron suaveolens
Pachira glabra
Senna podocarpa
Cymbopogon citratus
Araucaria cunninghamii
Boswellia dalzielii
Murraya Koenigii
Plumeria alba
Download SDF